10-decarboxymethylaclacinomycin T
Chemical Formula:
C28H34NO9
Molecular Weight:
528.578 Daltons
Monoisotopic Mass:
528.2233566955 Daltons
SMILES:
CCC4(C(O)C3(=CC2(C(C1(C=CC=C(C=1C(C=2C(=C3C(C4)OC5(CC(C(C(C)O5)O)[N+](C)C))O)=O)O))=O)))O
InChI:
1S/C28H33NO9/c1-5-28(36)11-18(38-19-10-16(29(3)4)23(31)12(2)37-19)21-15(27(28)35)9-14-22(26(21)34)25(33)20-13(24(14)32)7-6-8-17(20)30/h6-9,12,16,18-19,23,27,30-31,34-36H,5,10-11H2,1-4H3/p+1/t12-,16-,18-,19-,23+,27+,28+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-15784
PubChem (CID):
91820261
MetaNetX:
MNXM146485